[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

C20H25N3O2 — CID 95343180

IUPAC[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-15-21-10-12-23(15)18-3-2-11-22(13-18)20(24)17-6-8-19(9-7-17)25-14-16-4-5-16/h6-10,12,16,18H,2-5,11,13-14H2,1H3/t18-/m1/s1
InChIKeyAVMKYBSWYBZGCH-GOSISDBHSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds5

About [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95343180) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95343180
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-15-21-10-12-23(15)18-3-2-11-22(13-18)20(24)17-6-8-19(9-7-17)25-14-16-4-5-16/h6-10,12,16,18H,2-5,11,13-14H2,1H3/t18-/m1/s1
InChIKeyAVMKYBSWYBZGCH-GOSISDBHSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606757
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 95332115
[6-(dimethylamino)-3-pyridinyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343515
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 95736821
1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 95606434
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
[3-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119596221

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (CID 95343180) is [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is AVMKYBSWYBZGCH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-21-10-12-23(15)18-3-2-11-22(13-18)20(24)17-6-8-19(9-7-17)25-14-16-4-5-16/h6-10,12,16,18H,2-5,11,13-14H2,1H3/t18-/m1/s1.
What are the key properties of [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95343180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).